(3-benzoyl-1-propan-2-ylpiperidin-1-ium-3-yl) benzoate chloride

CAS: 33422-64-9

Molecular Formula	`C22H26ClNO3`
Molecular Weight	387.9 g/mol
Topological Polar Surface Area	47.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	387.16013
Heavy Atoms	27
Complexity	492.0

Chemical Identifiers

CAS Number	33422-64-9
SMILES	`CC(C)[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-]`
InChIKey	`HTCNYINKTNPFBW-UHFFFAOYSA-N`

📖 Product Overview

(3-benzoyl-1-propan-2-ylpiperidin-1-ium-3-yl) benzoate chloride (CAS: 33422-64-9) is a chemical compound with molecular formula C22H26ClNO3 and molecular weight 387.9 g/mol. Its IUPAC systematic name is (3-benzoyl-1-propan-2-ylpiperidin-1-ium-3-yl) benzoate chloride. Topological Polar Surface Area 47.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 6 Exact Mass 387.16013 Heavy Atoms 27 Complexity 492.0 InChI Key: HTCNYINKTNPFBW-UHFFFAOYSA-N. SMILES: CC(C)[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-].

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